ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate

C13H19FN2O2 — CID 61063654

IUPACethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-5-18-13(17)15-10-6-7-12(11(14)8-10)16(4)9(2)3/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyCTFWMKBLVKQRST-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.24
Rot. Bonds4

About ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate

ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate (PubChem CID 61063654) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
PubChem CID61063654
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Nameethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-5-18-13(17)15-10-6-7-12(11(14)8-10)16(4)9(2)3/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyCTFWMKBLVKQRST-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 65168946
(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
CID 61173891
2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79796549
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
CID 79200604
2-[2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-2-oxoethoxy]acetic acid
CID 61327848
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 110894229
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]butanoic acid
CID 115352494
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453091
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide
CID 64618160
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926029
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate (CID 61063654) is ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(N(C)C(C)C)c(F)c1.
What is the InChIKey of ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate?
The InChIKey is CTFWMKBLVKQRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-5-18-13(17)15-10-6-7-12(11(14)8-10)16(4)9(2)3/h6-9H,5H2,1-4H3,(H,15,17).
What are the key properties of ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate?
ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate has a molecular weight of 254.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate is sourced from PubChem (CID 61063654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).